Geometry & MOs

Info

ID:	30846
PubChem CID:	842001
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-237.18
Dipole, Da:	6.02
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)OCO2

DOS

IR

Vibrations